| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 30th, 2011 | 15 | Yes |
Popular Name: (2R,3S)-1-methyl-2-(5-methyl-2-thienyl)azepan-3-amine (2R,3S)-1-methyl-2-(5-methyl-2-t…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.82 | 3.49 | -32.72 | 3 | 2 | 1 | 31 | 225.381 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.82 | 3.27 | -2.22 | 2 | 2 | 0 | 29 | 224.373 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.82 | 5.41 | -27.88 | 3 | 2 | 1 | 30 | 225.381 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
